2-methyl-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide

C22H26N4O2 — CID 3655468

IUPAC2-methyl-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
SMILESCc1cccc(-n2c(C)nc3cc(C(=O)NCCN4CCOCC4)ccc32)c1
InChIInChI=1S/C22H26N4O2/c1-16-4-3-5-19(14-16)26-17(2)24-20-15-18(6-7-21(20)26)22(27)23-8-9-25-10-12-28-13-11-25/h3-7,14-15H,8-13H2,1-2H3,(H,23,27)
InChIKeyVVVFIFLITSJZNS-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.70
Rot. Bonds5

About 2-methyl-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide

2-methyl-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide (PubChem CID 3655468) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-methyl-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
PubChem CID3655468
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-methyl-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
SMILESCc1cccc(-n2c(C)nc3cc(C(=O)NCCN4CCOCC4)ccc32)c1
InChIInChI=1S/C22H26N4O2/c1-16-4-3-5-19(14-16)26-17(2)24-20-15-18(6-7-21(20)26)22(27)23-8-9-25-10-12-28-13-11-25/h3-7,14-15H,8-13H2,1-2H3,(H,23,27)
InChIKeyVVVFIFLITSJZNS-UHFFFAOYSA-N
XLogP2.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide (CID 3655468) is 2-methyl-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide is Cc1cccc(-n2c(C)nc3cc(C(=O)NCCN4CCOCC4)ccc32)c1.
What is the InChIKey of 2-methyl-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide?
The InChIKey is VVVFIFLITSJZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-4-3-5-19(14-16)26-17(2)24-20-15-18(6-7-21(20)26)22(27)23-8-9-25-10-12-28-13-11-25/h3-7,14-15H,8-13H2,1-2H3,(H,23,27).
What are the key properties of 2-methyl-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide?
2-methyl-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 3655468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).